Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2R | P25116 | 16/20 | 0.83 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1730944 | 0.99 | F2R (0.82) | F2RKDM4ESMN1; SMN2LMNAMAPT | |
| Bromide SCHEMBL1729586 | 0.94 | F2R (0.82) | F2RSMN1; SMN2MAPTKMT2ATSHR | |
| Bromide SCHEMBL1728939 | 0.93 | F2R (0.81) | F2RKMT2A | |
| SCHEMBL12151694 | 0.93 | F2R (0.81) | F2RSMN1; SMN2MAPTKMT2ATSHR | |
| Bromide SCHEMBL1730235 | 0.93 | F2R (0.87) | F2RSMN1; SMN2MAPT | |
| Bromide SCHEMBL1729112 | 0.92 | F2R (0.80) | F2RKMT2A | |
| Bromide SCHEMBL5486107 | 0.92 | F2R (0.80) | F2RTSHR | |
| SCHEMBL1731119 | 0.92 | F2R (0.80) | F2RKMT2A | |
| SCHEMBL13950221 | 0.92 | F2R (0.85) | F2RKDM4EMAPT | |
| SCHEMBL14449152 | 0.92 | F2R (0.87) | F2RSMN1; SMN2MAPT |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090022729-A1 | METHODS AND COMPOSITIONS FOR TREATING CARDIAC DYSFUNCTIONS | NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR | 2009-01-22 | — | — | US | claimed |
| EP-1614680-B1 | Process for preparing 2-iminopyrrolidine derivatives | EISAI R&D MAN CO LTD (JP) | 2011-12-21 | — | — | EP | disclosed |
| EP-1391451-B1 | 2-IMINOPYRROLIDINE DERIVATES | EISAI R&D MAN CO LTD (JP) | 2011-11-23 | — | — | EP | disclosed |
| EP-1492780-B1 | 5-SUBSTITUTED 1,1-DIOXO-¬1,2,5 THIAZOLIDINE-3-ONE DERIVATIVES AS PTPASE 1B INHIBITORS | NOVARTIS AG (CH) | 2011-11-23 | — | — | EP | disclosed |
| EP-2341049-A1 | 5-substituted 1,1-dioxo-[1,2,5]thiazolidine-3-one derivatives as PTPASE 1B inhibitors | Novartis AG (CH) | 2011-07-06 | — | — | EP | disclosed |
| US-20090022729-A1 | METHODS AND COMPOSITIONS FOR TREATING CARDIAC DYSFUNCTIONS | NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR | 2009-01-22 | — | — | US | disclosed |
| US-20080139576-A1 | 5-Substituted 1,1-Dioxo- 1,2,5- Thiadiazolidin-3-One Derivatives | NOVARTIS AG (CH) | 2008-06-12 | — | — | US | disclosed |
| US-7291635-B2 | 5-substituted 1,1-dioxo-1,2,5,-thiadiazolidin-3-one derivatives | NOVARTIS AG (CH) | 2007-11-06 | — | — | US | disclosed |
| US-7244730-B2 | 2-iminopyrrolidine derivatives | EISAI CO., LTD (JP) | 2007-07-17 | — | — | US | disclosed |
| US-20050245592-A1 | 2-Iminopyrrolidine derivatives | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2005-11-03 | — | — | US | disclosed |
| US-20050090502-A1 | Protein tyrosine phosphatase 1B inhibitors alone or incombination with other antidiabetic, antilipemic, anticholesterol or hypotensive agents | NOVARTIS AG (CH) | 2005-04-28 | — | — | US | disclosed |
| US-20050004204-A1 | 2-Iminopyrrolidine derivatives | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2005-01-06 | — | — | US | disclosed |
| EP-1492780-A1 | 5-SUBSTITUTED 1,1-DIOXO-[1,2,5]THIAZOLIDINE-3-ONE DERIVATIVES AS PTPASE 1B INHIBITORS | Novartis AG (CH) | 2005-01-05 | — | — | EP | disclosed |
| EP-1391451-A1 | 2-IMINOPYRROLIDINE DERIVATES | Eisai Co., Ltd. (JP) | 2004-02-25 | — | — | EP | disclosed |
| US-20040023974-A1 | Cyclic sulfamide derivatives and methods of use | COPPOLA GARY MARK | 2004-02-05 | — | — | US | disclosed |
| WO-2003082841-A1 | 5-SUBSTITUTED 1,1-DIOXO-`1,2,5!THIAZOLIDINE-3-ONE DERIVATIVES AS PTPASE 1B INHIBITORS | NOVARTIS AG (CH) | 2003-10-09 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20050245592-A1 | 2-Iminopyrrolidine derivatives | H1-2, H1-3, H1-0 | F2R 2290/4885KDM4E 3161/4885SMN1; SMN2 2355/4885 |
| US-20080139576-A1 | 5-Substituted 1,1-Dioxo- 1,2,5- Thiadiazolidin-3-One Derivatives | PTPRS, PTPRJ, IRS1 | F2R 1740/4885KDM4E 2525/4885SMN1; SMN2 2763/4885 |
| US-20050004204-A1 | 2-Iminopyrrolidine derivatives | H1-2, H1-3, H1-0 | F2R 2289/4885KDM4E 3132/4885SMN1; SMN2 2369/4885 |
| US-20090022729-A1 | METHODS AND COMPOSITIONS FOR TREATING CARDIAC DYSFUNCTIONS | TNNI3, MYLK2, FABP3 | F2R 8/4885KDM4E 4135/4885SMN1; SMN2 3780/4885 |
| US-20050090502-A1 | Protein tyrosine phosphatase 1B inhibitors alone or incombination with other antidiabetic, antilipemic, anticholesterol or hypotensive agents | PTPRS, PTPMT1, PTPN1 | F2R 2712/4885KDM4E 3358/4885SMN1; SMN2 2848/4885 |
| US-20040023974-A1 | Cyclic sulfamide derivatives and methods of use | PTPRS, PTPA, PTPMT1 | F2R 1941/4885KDM4E 3127/4885SMN1; SMN2 1515/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.